6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine

C12H18N6S — CID 80946967

IUPAC6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCc2scnc2C)n1
InChIInChI=1S/C12H18N6S/c1-3-4-10-16-11(5-12(17-10)18-13)14-6-9-8(2)15-7-19-9/h5,7H,3-4,6,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyPJRZVYOWRXULIL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.09
Rot. Bonds6

About 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine

6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 80946967) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
PubChem CID80946967
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCc2scnc2C)n1
InChIInChI=1S/C12H18N6S/c1-3-4-10-16-11(5-12(17-10)18-13)14-6-9-8(2)15-7-19-9/h5,7H,3-4,6,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyPJRZVYOWRXULIL-UHFFFAOYSA-N
XLogP2.09
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80829432
2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80934420
6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771943
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80946582
4-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384287
6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80830453
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946742
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874984
2-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975649
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine (CID 80946967) is 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NCc2scnc2C)n1.
What is the InChIKey of 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is PJRZVYOWRXULIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-3-4-10-16-11(5-12(17-10)18-13)14-6-9-8(2)15-7-19-9/h5,7H,3-4,6,13H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine?
6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).